2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one

C12H15NO2 — CID 57328040

IUPAC2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one
SMILESCC[C@H](CO)N1Cc2ccccc2C1=O
InChIInChI=1S/C12H15NO2/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12(13)15/h3-6,10,14H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyWEVOCFKCXBAXCO-SNVBAGLBSA-N
MW205.26 g/mol
LogP1.41
Rot. Bonds3

About 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one

2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one (PubChem CID 57328040) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one
PubChem CID57328040
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one
SMILESCC[C@H](CO)N1Cc2ccccc2C1=O
InChIInChI=1S/C12H15NO2/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12(13)15/h3-6,10,14H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyWEVOCFKCXBAXCO-SNVBAGLBSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one (CID 57328040) is 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one is CC[C@H](CO)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one?
The InChIKey is WEVOCFKCXBAXCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12(13)15/h3-6,10,14H,2,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one?
2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 57328040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).